SCHEMBL13981925

SCHEMBL13981925

BCc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 13/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
GAA P10253 1/20 0.57
PKM P14618 1/20 0.54
GFER P55789 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TTR P02766 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14136128 0.87 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL31090163 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL16233087 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL28712446 0.85 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL8297975 0.85 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL4977602 0.83 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL1667910 0.83 TTR (0.68) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL824464 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL11440920 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL97957 0.83 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNAHTTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9448237-B2 Modified tyrosine amino acids, peptides containing them, and their use for detecting hydrolase enzyme activity PAMGENE B.V. (NL) 2016-09-20 US disclosed
US-20140155286-A1 MODIFIED TYROSINE AMINO ACIDS, PEPTIDES CONTAINING THEM, AND THEIR USE FOR DETECTING HYDROLASE ENZYME ACTIVITY PAMGENE B.V. (NL) 2014-06-05 US disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140155286-A1 MODIFIED TYROSINE AMINO ACIDS, PEPTIDES CONTAINING THEM, AND THEIR USE FOR DETECTING HYDROLASE ENZYME ACTIVITY PTMS, TH, TYR SMN1; SMN2 4244/4885ALDH1A1 2926/4885LMNA 4166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.